Compound Groups

Compound groups are groups of chemicals that share structural or chemical features. In most cases, hazard lists will assign hazards to individual substances. Compound groups are useful because in some cases, lists will instead identify a group of structurally similar compounds (such as lead compounds) as all having the same hazard. The Pharos staff is in the process of establishing and populating compound groups, and associating warnings from the hazard lists with them. The table below indicates how each compound group is populated, and what is the status of its population.
Compound Groups
COMPOUND GROUP NAME POPULATION STATUS DATE POPULATED DESCRIPTION PROFILE TYPE # MEMBERS # HAZARDS
Octamoxin and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Octamylamine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Octodrine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 2 1
Octylphenol ethoxylates incomplete This compound group is defined by the SMILES string 'CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 91 10
Octylphenol ethoxylates and related compounds incomplete This compound group has not yet been assigned a structural definition. other 125 4
Octylphenols incomplete This compound group has not yet been assigned a structural definition. other 30 6
Organic compounds of mercury with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

 other 776 50
Organophosphorous flame retardants (OPFRs) incomplete

This compound group is populated from lists of organophosphorous / organophosphate flame retardants from multiple commercial and academic sources.

 functional use 189 4
Organotin Compounds (OSPAR group) incomplete

The group of organic tin compounds identified by OSPAR for priority action comprises mono-, di-, tri and tetrabutyl and triphenyl tin compounds. https://www.ospar.org/documents?v=7271

 other 220 14
ortho-Phthalates - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

 fixed list 54 1
Other PFAA precursors and related compounds - perfluoroalkyl ones incomplete

This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/.

 315 12
Other PFAA precursors or related compounds - semifluorinated incomplete

This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/.

 747 12
Oxanamide and its derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Oxpheneridine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
p-Phenylenediamine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 2 1
p,p´-Bisphenols - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

 fixed list 0 2
Palygorskite fibers (> 5µm in length) incomplete

This compound group has not yet been assigned a structural definition.

 other 2 3
Parabens incomplete This compound group has not yet been assigned a structural definition. other 11 3
Paraffin oils (petroleum) incomplete This compound group has not yet been assigned a structural definition. other 16 0
Paraffin waxes (coal) incomplete This compound group has not yet been assigned a structural definition. other 5 0
Paraquat, salts incomplete

This compound group has not yet been assigned a structural definition.

 other 0 9
Parethoxycaine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Particulate matter (≤10 microns) incomplete This compound group has not yet been assigned a structural definition. other 0 1
PBDEs in Commercial Octabromodiphenyl Ether incomplete This compound group is defined by a list in the Stockholm Convention, available at http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx fixed list 4 36
PBDEs In Commercial Pentabromodiphenyl Ether incomplete This compound group has not yet been assigned a structural definition. fixed list 13 36
Pemoline and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Pentane isomers incomplete This compound group has not yet been assigned a structural definition. other 5 1
Pentanol isomers with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group has not yet been assigned a structural definition.

 0 3
Per and Polyfluorinated Alkyl Substances (PFAS) / Perfluorinated Compounds (PFCs) incomplete

This group is populated by:

  • Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/ 
  • PFAS Master List of PFAS Substances (https://comptox.epa.gov/dashboard/chemical-lists/PFASMASTER), a consolidated list of PFAS substances compiled by the EPA and includes the EPA research list of PFAS compiled from internal, literature, and public sources; complete list of DMSO-solubilized PFAS in EPA's ToxCast inventory; a prioritized subset of the larger ToxCast chemical inventory; a list of chemicals procured but found to be insoluble in DMSO above 5mM; the OECD New Comprehensive Global Database; KEMI Swedish Chemicals Agency Report; compilation by community effort in 2015; structure-based Markush PFAS categories (capabilities under development); PFAS structures containing a specific defined substructures; and PFAS chemicals without explicit structures (polymers and other UVCB chemicals)
  • Members of subgroups
 other 10773 12
Per- and polyfluoroalkyl ether-based compounds incomplete

This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/.

 365 12
Perboric acid (H3BO2(O2)), and other sodium salts incomplete This compound group is defined by the SMILES string '[Na+].[O-]OB=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 32 0
Perchlorates incomplete

This compound group has not yet been assigned a structural definition and is incomplete.

 structure 25 1
PERFLUORINATED ALKYL SUBSTANCES (PFAS), LONG-CHAIN incomplete

This compound group has not yet been assigned a structural definition.

 other 192 17
PERFLUORINATED ALKYL SUBSTANCES (PFAS), SHORT-CHAIN incomplete

This compound group has not yet been assigned a structural definition.

 other 4 15
Perfluoroalkane sulfonyl compounds incomplete

This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/.

 641 12
Perfluoroalkyl and polyfluoroalkyl substances (PFASs) - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals/perfluorochemicals-pfcs

 fixed list 12 16
Perfluoroalkyl carbonyl compounds incomplete

This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/.

 515 12
Perfluoroalkyl phosphate compounds incomplete

This compound group has not yet been assigned a structural definition.

 23 12
Perfluorobutane sulfonic acid (PFBS) and its salts incomplete

This compound group has not yet been formally defined.

 structure 12 10
Perfluorobutanoic acid and its salts and precursors incomplete

This compound group has not yet been assigned a structural definition.

 other 0 0
PERFLUOROCARBONS, SHORT-CHAIN incomplete This compound group has not yet been assigned a structural definition. other 6 13
Perfluorocarboxylic Acids (PFCAs), Long-Chain (C9-C20), their Salts, and their Precursors incomplete

This compound group has not yet been assigned a structural definition.

 other 0 5
Perfluorohexane sulfonic acid (PFHxS), its salts and PFHxS-related compounds incomplete

This compound group has not yet been assigned a structural definition.

 other 38 15
Perfluorooctane sulfonamides incomplete

This compound group has not yet been assigned a structural definition.

 other 5 1
Perfluorooctane sulfonates C8F17SO2X (X = OH, Metal salt, halide, amide, and other derivatives including polymers) (PFOS), all members incomplete

This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/

 other 19 12
Perfluorooctane sulfonyls incomplete

Compounds that contain one of the following groups: C8F17SO2-, C8F17SO3- or C8F17SO2N-.

 structure 1 18
PERFLUOROOCTANOATE (PFOA, C-8) SALTS incomplete

Salts of perfluorooctanoic acid (PFOA).

 structure 2 24
Perfluorooctanoic Acid (PFOA) Salts, and Its Precursors incomplete This compound group has not yet been assigned a structural definition. other 3 10
perfluorooctanoic acid (PFOA), its salts and PFOA-related substances incomplete other 79 9
Perfluorooctanoic acid inorganic salts incomplete

This compound group is defined by the SMILES string 'C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

 other 0 2
Perfluorooctyl silanes incomplete

This compound group has not yet been assigned a structural definition.

 other 0 0
Persulfate salts incomplete

This compound group is defined by the SMILES string '[O-]S(=O)(=O)OOS(=O)(=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. Persulfate salts populated per SIDS Initial Assessment Report For SIAM 20 http://www.chem.unep.ch/irptc/sids/oecdsids/Persulfates.pdf

 other 4 3
Petrolatum (petroleum), treated and untreated incomplete This compound group has not yet been assigned a structural definition. other 34 0
Petroleum distillates incomplete This compound group has not yet been assigned a structural definition. other 118 2
Petroleum products incomplete This compound group has not yet been assigned a structural definition. other 7 2
Petroleum, Crude oil incomplete This compound group has not yet been assigned a structural definition. other 2 1
PFNA, Perfluorononan-1-oic-acid and its salts incomplete

This compound group has not yet been assigned a structural definition.

 other 3 4
Phenmetrazine, its derivatives and salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Phenothiazine and its compounds incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Phenylenediamine compounds incomplete

This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/

 other 16 0
Pipazetate and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Piperazine salts incomplete

This compound group is defined by the SMILES string 'C1CNCCN1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

 other 3533 0
Pipradrol and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Piproctanyl salts incomplete

This compound group has not yet been assigned a structural definition.

 other 0 3
polyacrylamides incomplete 4 0
Polybrominated dibenzodioxins incomplete

This compound group has not yet been assigned a structural definition.

 other 0 1
Polybrominated dibenzofurans incomplete This compound group has not yet been assigned a structural definition. other 0 2
POLYBROMINATED DIPHENYL ETHERS (PBDE) incomplete This compound group has not yet been assigned a structural definition. other 42 34
Polybrominated terphenyls (PBT) incomplete

This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/

 other 7 1
POLYCHLORINATED ALKANES incomplete This compound group has not yet been assigned a structural definition. other 68 12
POLYCHLORINATED BIPHENYLS (PCBs) incomplete

This compound group has not yet been assigned a structural definition.

 other 240 36
POLYCHLORINATED DIBENZO-P-DIOXINS (PCDD) incomplete This compound group has not yet been assigned a structural definition. other 8 27
POLYCHLORINATED DIBENZOFURANS (PCDF) incomplete This compound group has not yet been assigned a structural definition. other 10 20
POLYCHLORINATED NAPHTHALENES (PCN) incomplete

This compound group has not yet been assigned a structural definition.

 other 20 19
Polychlorinated terphenyls (PCTs) incomplete This compound group has not yet been assigned a structural definition. other 1 5
POLYCYCLIC AROMATIC COMPOUNDS - Compound Group incomplete This compound group has not yet been assigned a structural definition. other 104 6
POLYCYCLIC AROMATIC HYDROCARBONS (PAH) (US NIH RoC) incomplete

This compound group has not yet been assigned a structural definition.

 19 0
Polycyclic synthetic musks - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

 fixed list 0 1
polyethlyenepolyamines incomplete

This compound group has not yet been assigned a structural definition.

 structure 1 0
polyethlyenepolyamines with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

 other 0 6
Potassium Titanates incomplete This compound group has not yet been assigned a structural definition. other 5 1
Procainamide, its salts and derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Propanedinitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 141 0
Propanenitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 320 0
PROPYLENE GLYCOL & GLYCOL ETHERS (PGES) incomplete

This compound group is defined by the SMILES string 'C(COCCO)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

 other 28 0
proteases incomplete

This compound group has not yet been assigned a structural definition.

 functional use 2 0
proteases with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

 1 5
PVC related polymers incomplete This compound group has not yet been assigned a structural definition. other 134 2
Pyrethrins incomplete This compound group has not yet been assigned a structural definition. other 9 2
pyrethrins including cinerins incomplete

This compound group has not yet been assigned a structural definition.

 other 4 0
pyrethrins including cinerins, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

 1 6
Pyrethroid pesticides - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

 fixed list 0 1
Pyrethroids incomplete This compound group has not yet been assigned a structural definition. other 32 3
Pyrolysis products of organic materials with high levels of PAHs incomplete

This list is populated from the 2018 MAK document, where listings for specific chemicals were not available:

"Many of the PAH which occur regularly in pyrolysis products are carcinogenic in animal studies. They are present at particularly high levels in brown coal tars (soft coal tars), coal tars (black coal tars), coal tar pitches, coal tar oils, coke oven emissions."

 other 15 0
Radioiodines, including iodine-131 incomplete

This compound group has not yet been assigned a structural definition.

 0 5
Radionuclides incomplete

This group has not been assigned a structural definition yet.

 3 4
Radionuclides, alpha-particle-emitting, internally deposited incomplete

This compound group has not yet been assigned a structural definition.

 0 5
Radionuclides, beta-particle-emitting, internally deposited incomplete

This compound group has not yet been assigned a structural definition.

 0 5
Raffinates (petroleum), and various treated and processed fractions incomplete This compound group has not yet been assigned a structural definition. other 10 0
Refractory Ceramic Fibers (with alkaline oxide and alkali earth oxide content less or equal to 18 % by weight) incomplete This compound group has not yet been assigned a structural definition. other 5 8